Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3761902

COc1ccc2c(c1)c(C(=O)N(C)C1CCN(C)CC1)cn2S(=O)(=O)c1ccc(Br)s1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.40
PKM P14618 2/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 4/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTR2A P28223 1/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.35
TAF1 P21675 1/20 0.35
CECR2 Q9BXF3 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL3748726 0.91 HTR6 (0.39) HTR6MAPTCYP3A4CYP2D6BRD4
Trifluoroacetic Acid SCHEMBL3752555 0.88 HTR6 (0.45) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL3752558 0.82 HTR6 (0.37) HTR6PKMMAPTCYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3759250 0.81 HTR6 (0.49) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Trifluoroacetic Acid SCHEMBL3749336 0.80 HTR6 (0.39) HTR6PKMMAPTBRD4TAF1
SCHEMBL5035284 0.75 HTR6 (0.53) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Trifluoroacetic Acid SCHEMBL3754067 0.75 HTR6 (0.51) HTR6
Trifluoroacetic Acid SCHEMBL3754269 0.74 HTR6 (0.49) HTR6MAPTCYP3A4CYP2D6HTR2A
Trifluoroacetic Acid SCHEMBL3750563 0.73 HTR6 (0.38) HTR6MAPT
Trifluoroacetic Acid SCHEMBL3744507 0.69 HTR6 (0.39) HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D HTR6 12/4885PKM 2121/4885MAPT 68/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.